Match comparison for Benzene Energy [step 20] (match type 20991)
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744529289078146e+01 | 1.000000000000000e-04 | -3.744529289078132e+01 | 8.231262687317315e-14 | -3.744529289078137e+01 | 1.492139745096210e-13 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -37.44529289078146, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.744529289078134e+01 | 1.207922650792170e-13 | 1.207922650792170e-09 | PASS |
| eb_fosscuda-2022a | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| cmake_foss_2022a_full_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| cmake_foss_2022a_full_mpi | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| cmake_foss_2022a_min_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| cmake_foss_2022a_min_mpi | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| eb_foss-2022a | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| eb_foss-2022a_debug | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| eb_foss-2022b_libxc6 | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| foss-2022a_opt | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| eb_foss-2022a_mpi | -3.744529289078123e+01 | 2.344791028008331e-13 | 2.344791028008331e-09 | PASS |
| foss-2022a_omp | -3.744529289078132e+01 | 1.350031197944190e-13 | 1.350031197944190e-09 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744529289078132e+01 | 1.421085471520200e-13 | 1.421085471520200e-09 | PASS |
| intel-2022a | -3.744529289078152e+01 | -5.684341886080801e-14 | -5.684341886080801e-10 | PASS |
| foss-2022a_mpi_omp | -3.744529289078133e+01 | 1.278976924368180e-13 | 1.278976924368180e-09 | PASS |
| eb_foss-2022a_mpi_debug | -3.744529289078123e+01 | 2.344791028008331e-13 | 2.344791028008331e-09 | PASS |
| intel-2022b | -3.744529289078152e+01 | -5.684341886080801e-14 | -5.684341886080801e-10 | PASS |
| intel-2022a_omp | -3.744529289078139e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744529289078128e+01 | 1.776356839400250e-13 | 1.776356839400250e-09 | PASS |
| spack_foss-2022a_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| intel-2022a_impi | -3.744529289078152e+01 | -6.394884621840902e-14 | -6.394884621840902e-10 | PASS |
| spack_foss-2022a_serial_min | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2022a_serial_omp | -3.744529289078136e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_serial_debug | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| intel-2022a_omp_impi | -3.744529289078139e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |